SCHEMBL149024

SCHEMBL149024

O=[N+]([O-])C1CN(Cc2ccccc2)CC1c1cc(F)c(F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.49
DRD2 P14416 3/20 0.42
DRD3 P35462 3/20 0.42
ACHE P22303 4/20 0.40
BACE1 P56817 4/20 0.40
BCHE P06276 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
CCR5 P51681 1/20 0.39
GRIN2B Q13224 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK1 P28482 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1726510 1.00 DPP4 (0.49) DPP4DRD2DRD3ACHEBACE1
SCHEMBL149025 1.00 DPP4 (0.49) DPP4DRD2DRD3ACHEBACE1
SCHEMBL1726513 1.00 DPP4 (0.49) DPP4DRD2DRD3ACHEBACE1
SCHEMBL119907 1.00 DPP4 (0.49) DPP4DRD2DRD3ACHEBACE1
SCHEMBL14722767 0.91 DPP4 (0.41) DPP4DRD2DRD3ACHEBACE1
SCHEMBL459874 0.91 DPP4 (0.41) DPP4DRD2DRD3ACHEBACE1
SCHEMBL14722768 0.91 DPP4 (0.41) DPP4DRD2DRD3ACHEBACE1
SCHEMBL5924076 0.91 DPP4 (0.46) DPP4DRD2DRD3ACHEBACE1
SCHEMBL149641 0.89 DRD2 (0.49) DPP4DRD2DRD3ACHEBACE1
SCHEMBL121059 0.89 DRD2 (0.49) DPP4DRD2DRD3ACHEBACE1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013026587-A1 1,4 DISUBSTITUTED PYRROLIDINE - 3 - YL -AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2013-02-28 WO disclosed
WO-2012066077-A1 1,4 DI SUBSTITUTED PYRROLIDINE - 3 - YL -AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2012-05-24 WO disclosed
US-20120059014-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-08 US disclosed
EP-2406251-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Prosidion Limited (GB) 2012-01-18 EP disclosed
WO-2010103334-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-09-16 WO disclosed
US-20060264433-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES 2006-11-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120059014-A1 Compounds for the Treatment of Metabolic Disorders GPR119, FFAR2, GPBAR1 DPP4 407/4885DRD2 1451/4885DRD3 2099/4885
US-20060264433-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 DPP4 1/4885DRD2 3745/4885DRD3 3305/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.